Electronic Excited State Specific IR Spectra for Phenylene Ethynylene Dendrimer Building Blocks

2013 ◽  
Vol 117 (50) ◽  
pp. 26517-26528 ◽  
Author(s):  
Johan F. Galindo ◽  
Sebastian Fernandez-Alberti ◽  
Adrian E. Roitberg
Keyword(s):  
Excited State ◽  
Ir Spectra ◽  
Building Blocks ◽  
Phenylene Ethynylene ◽  
Electronic Excited State

scholarly journals Non-adiabatic excited state molecular dynamics of phenylene ethynylene dendrimer using a multiconfigurational Ehrenfest approach

2016 ◽  
Vol 18 (15) ◽  
pp. 10028-10040 ◽  
Author(s):  
Sebastian Fernandez-Alberti ◽  
Dmitry V. Makhov ◽  
Sergei Tretiak ◽  
Dmitrii V. Shalashilin
Keyword(s):  
Molecular Dynamics ◽  
Energy Transfer ◽  
Excited State ◽  
Building Blocks ◽  
Time Dependent ◽  
Phenylene Ethynylene

Photoinduced dynamics of electronic and vibrational unidirectional energy transfer between meta-linked building blocks in a phenylene ethynylene dendrimer is simulated using a multiconfigurational Ehrenfest in time-dependent diabatic basis (MCE-TDDB) method.

Renilla Bioluminescence: A Morphologic Approach to the Location of Photocytes

1974 ◽  
Vol 32 ◽  
pp. 208-209
Author(s):  
Ben O. Spurlock ◽  
Milton J. Cormier
Keyword(s):  
Excited State ◽  
Ground State ◽  
Molecular Basis ◽  
Light Emission ◽  
Chemical Basis ◽  
Electronic Excited State ◽  
Colonial Form ◽  
The Common ◽  
Eighteenth And Nineteenth Centuries ◽  
Catalyzed Oxidation

The phenomenon of bioluminescence has fascinated layman and scientist alike for many centuries. During the eighteenth and nineteenth centuries a number of observations were reported on the physiology of bioluminescence in Renilla, the common sea pansy. More recently biochemists have directed their attention to the molecular basis of luminosity in this colonial form. These studies have centered primarily on defining the chemical basis for bioluminescence and its control. It is now established that bioluminescence in Renilla arises due to the luciferase-catalyzed oxidation of luciferin. This results in the creation of a product (oxyluciferin) in an electronic excited state. The transition of oxyluciferin from its excited state to the ground state leads to light emission.

scholarly journals Ultrafast Charge Recombination of Photogenerated Ion Pairs to an Electronic Excited State

2002 ◽  
Vol 106 (19) ◽  
pp. 4833-4837 ◽  
Author(s):  
Ana Morandeira ◽  
Laurine Engeli ◽  
Eric Vauthey
Keyword(s):  
Excited State ◽  
Ion Pairs ◽  
Charge Recombination ◽  
Electronic Excited State

scholarly journals Tracking excited state decay mechanisms of pyrimidine nucleosides in real time

2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Rocío Borrego-Varillas ◽  
Artur Nenov ◽  
Piotr Kabaciński ◽  
Irene Conti ◽  
Lucia Ganzer ◽  
...  
Keyword(s):  
Excited State ◽  
Transient Absorption ◽  
Building Blocks ◽  
Transient Absorption Spectroscopy ◽  
Classical Dynamics ◽  
Spectral Signatures ◽  
Spectral Signal ◽  
Order Of Magnitude ◽  
Franck Condon ◽  
Intense Debate

AbstractDNA owes its remarkable photostability to its building blocks—the nucleosides—that efficiently dissipate the energy acquired upon ultraviolet light absorption. The mechanism occurring on a sub-picosecond time scale has been a matter of intense debate. Here we combine sub-30-fs transient absorption spectroscopy experiments with broad spectral coverage and state-of-the-art mixed quantum-classical dynamics with spectral signal simulations to resolve the early steps of the deactivation mechanisms of uridine (Urd) and 5-methyluridine (5mUrd) in aqueous solution. We track the wave packet motion from the Franck-Condon region to the conical intersections (CIs) with the ground state and observe spectral signatures of excited-state vibrational modes. 5mUrd exhibits an order of magnitude longer lifetime with respect to Urd due to the solvent reorganization needed to facilitate bulky methyl group motions leading to the CI. This activates potentially lesion-inducing dynamics such as ring opening. Involvement of the 1nπ* state is found to be negligible.

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